public static string MolFragmentToSmiles(ROMol mol, Int_Vect atomsToUse, Int_Vect bondsToUse = null, Str_Vect atomSymbols = null, Str_Vect bondSymbols = null, bool isomericSmiles = true, bool kekuleSmiles = false, int rootedAtAtom = -1, bool canonical = true, bool allBondsExplicit = false, bool allHsExplicit = false) { return(RDKFuncs.MolFragmentToSmiles(mol, atomsToUse, bondsToUse, atomSymbols, bondSymbols, isomericSmiles, kekuleSmiles, rootedAtAtom, canonical)); }
public Str_Vect getPropList() { Str_Vect ret = new Str_Vect(RDKFuncsPINVOKE.RDProps_getPropList__SWIG_2(swigCPtr), true); if (RDKFuncsPINVOKE.SWIGPendingException.Pending) { throw RDKFuncsPINVOKE.SWIGPendingException.Retrieve(); } return(ret); }
public Str_Vect getPropList(bool includePrivate, bool includeComputed) { Str_Vect ret = new Str_Vect(RDKFuncsPINVOKE.RDProps_getPropList__SWIG_0(swigCPtr, includePrivate, includeComputed), true); if (RDKFuncsPINVOKE.SWIGPendingException.Pending) { throw RDKFuncsPINVOKE.SWIGPendingException.Retrieve(); } return(ret); }